Aldosterone 21-sulfate
[2-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate
Also Known As: Aldosterone 21-sulfate|Aldosterone 21-sulfate (sodium salt)|[2-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate|11-Hydroxy-3,18,20-trioxopregn-4-en-21-yl hydrogen sulfate|11beta-Hydroxy-3,18,20-trioxopregn-4-en-21-yl hydrogen sulfate|Pregn-4-en-18-al, 11-hydroxy-3,20-dioxo-21-(sulfooxy)-, (11beta)-
| Molecular Formula | C21H28O8S |
|---|---|
| Molecular Weight | 440.15048 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.15048 |
| Monoisotopic Mass | 440.15048 |
| Heavy Atoms | 30 |
| Complexity | 902.0 |
Chemical Identifiers
| CAS Number | 52036-29-0 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)COS(=O)(=O)O)C=O)O |
| InChIKey | LWCMITUCQRJZGP-ZVIOFETBSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aldosterone 21-sulfate (CAS 52036-29-0), with molecular formula C21H28O8S and molecular weight 440.15048 g/mol. IUPAC: [2-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate.
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